Dear gmx users I would like to smoothly decrease the strength of the interaction of coulomb & vdw to zero, without Ewald. According to the tutorial, I made .mdp file by myself. MD calculation could run actually, but I am a little anxious..
Could you please tell me the following file looks correct or not ? ;--- mdp file --- coulombtype = reaction-field-zero rcoulomb-switch = 0.0 rcoulomb = 0.9 epsilon-rf = 0 rlist = 1.20 vdw-type = shift rvdw-switch = 0.8 rvdw = 0.9 ;-------------------------- Best regards Kenji -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
